CAS No.125-52-0,OXYPHENCYCLIMINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	125-52-0
Name:	OXYPHENCYCLIMINE

Formula:	C₂₀H₂₈N₂O₃·ClH
Molecular Weight:	380.91
Synonyms:	benzeneacetic acid, α-cyclohexyl-α-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, hydrochloride (1:1);Syklifen;Ulcociclinina;Vio-Thene;Benzeneaceticacid, a-cyclohexyl-a-hydroxy-,(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, monohydrochloride(9CI);Cyclohexaneglycolic acid, a-phenyl-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl estermonohydrochloride (8CI);(1-Methyl-1,4,5,6-tetrahydro-2-pyrimidyl)methyl a-cyclohexyl-a-phenylglycolate hydrochloride;Daricol;Daricon;Dominil;Enterex;NSC 528449;Oximin;
EINECS:	204-742-8
Density:	1.18g/cm³
Boiling Point:	528.2 °C at 760 mmHg
Flash Point:	273.2 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	62.13000
LogP:	2.90720

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Specification

The Oxyphencyclimine hydrochloride, with the CAS registry number 125-52-0, is also known as Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, hydrochloride (1:1). Its EINECS number is 204-343-9. This chemical's molecular formula is C₂₀H₂₈N₂O₃·ClH and molecular weight is 380.91. What's more, its systematic name is (1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl cyclohexyl(hydroxy)phenylacetate hydrochloride (1:1). Its classification code is Drug / Therapeutic Agent.

Physical properties of Oxyphencyclimine hydrochloride are: (1)ACD/LogP: 4.687; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.70; (5)ACD/BCF (pH 5.5): 21.48; (6)ACD/BCF (pH 7.4): 22.13; (7)ACD/KOC (pH 5.5): 84.49; (8)ACD/KOC (pH 7.4): 87.03; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 51.13 Å²; (13)Flash Point: 273.2 °C; (14)Enthalpy of Vaporization: 84.52 kJ/mol; (15)Boiling Point: 528.2 °C at 760 mmHg; (16)Vapour Pressure: 5.52E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC/1=N/CCCN\1C)C(O)(c2ccccc2)C3CCCCC3
(2)Std. InChI: InChI=1S/C20H28N2O3.ClH/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17;/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3;1H
(3)Std. InChIKey: WXAYTPABEADAAB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	47mg/kg (47mg/kg)	CARDIAC: CHANGE IN RATE SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: TREMOR	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
dog	LD50	oral	1gm/kg (1000mg/kg)	BEHAVIORAL: TREMOR CARDIAC: CHANGE IN RATE SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
mouse	LD50	intramuscular	210mg/kg (210mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
mouse	LD50	intraperitoneal	130mg/kg (130mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
mouse	LD50	intravenous	80mg/kg (80mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
mouse	LD50	oral	860mg/kg (860mg/kg)		Drugs in Japan Vol. 6, Pg. 152, 1982.
mouse	LD50	subcutaneous	335mg/kg (335mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
rat	LD50	intramuscular	1050mg/kg (1050mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
rat	LD50	intraperitoneal	130mg/kg (130mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
rat	LD50	intravenous	88mg/kg (88mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.
rat	LD50	oral	1370mg/kg (1370mg/kg)		Drugs in Japan Vol. 6, Pg. 152, 1982.
rat	LD50	subcutaneous	1150mg/kg (1150mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toxicology and Applied Pharmacology. Vol. 1, Pg. 391, 1959.